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Journal of Structural Chemistry

2009 year, number 3

CHEMICAL BONDING IN LaFeAsO, SrFe2As2, AND LiFeAs: BASIC PHASES OF NEW 18-56 K SUPERCONDUCTORS

I. R. Shein, А. L. Ivanovskii
Keywords: FeAs superconductors, band structure calculations, chemical bonding
Pages: 573-576

Abstract

Based on FLAPW-GGA calculations, a comparative study of the features of interatomic interactions in LaFeAsO, SrFe2As2, and LiFeAs layered crystals (basic phases of new 18-56 K superconductors) is carried out.